This mini-symposium brings together leading researchers in the fields of computational drug discovery and materials science. Through a series of invited talks, we aim to explore current advances and foster dialogue between disciplines.
Programme
- 13:00: Welcome
- 13:30-15:00: Session 1
- Dr. Sandro Boland – CISTIM / KU Leuven: Use of ML/AI methods for drug discovery: “it’s all about you”
- Drs. Joep Wals – University of Antwerp: Exploring the binding mechanism of Fibroblast Activation Protein (FAP) inhibitor UAMC-1110 using QM/MM
- Dr. Edgar Jacoby – Johnson & Johnson: The impact of computational design in the discovery of novel NIK and DHODH inhibitors for the treatment of cancers
- 15:00-16:00: Poster Session & Coffee Break
- 16:00-17:30: Session 2
- Dr. Maria Cecilia Oliveira – University of Antwerp: Molecular Dynamics: A Valuable Tool in Plasma Medicine
- Prof. Jeremy Harvey – KU Leuven: Machine-learning models of potential energy surfaces as a tool for understanding structure and reactivity
- Prof. Mark Saeys – Ghent University: Operando Computational Catalysis: Microkinetic models for COx hydrogenation on crowded surfaces
Poster Presentations
We invite submissions for poster presentations.
Latest event information
HOEK 38
Leuvenseweg 38
1000 Brussel
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